JP 1302 dihydrochloride

CAT: 0926-JAC31465-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JAC31465-01Size:50 mg

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CAS Number

1259314-65-2

MDL Number

MFCD10565599

Smiles

CN (CC5) CCN5C (C=C4) =CC=C4NC2=C3C (C=CC=C3) =NC1=CC=CC=C12.Cl.Cl

Molecular Formula

C24H24N4·2HCl

Molecular Weight

441.4 g/mol

Controlled

Chemical Information

JP 1302 Dihydrochloride

CAS Number	1259314-65-2
PubChem CID	49855035
IUPAC Name	N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine;dihydrochloride
Molecular Formula	C24H26Cl2N4
Molecular Weight	441.4
Topological Polar Surface Area	31.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	473

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53.Cl.Cl

InChI

InChI=1S/C24H24N4.2ClH/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24;;/h2-13H,14-17H2,1H3,(H,25,26);2*1H

InChIKey

VVZOADYFJAJZGL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1259314-65-2

CID: 49855035

Formula: C24H26Cl2N4

MW: 441.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	441.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	440.1534522
Monoisotopic Mass	440.1534522
Topological Polar Surface Area	31.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	473
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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